ethyl (E)-2-cyano-3-[[2-(1-ethylpiperidin-1-ium-4-yl)pyrazol-3-yl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[2-(1-ethylpiperidin-1-ium-4-yl)pyrazol-3-yl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[[2-(1-ethylpiperidin-1-ium-4-yl)pyrazol-3-yl]amino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[2-(1-ethyl-4-piperidin-1-iumyl)-3-pyrazolyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[[2-(1-ethylpiperidin-1-ium-4-yl)pyrazol-3-yl]amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[[2-(1-ethylpiperidin-1-ium-4-yl)pyrazol-3-yl]amino]acrylic acid ethyl ester Formula: C16H24N5O2+ MolecularWeight: 318.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2C(=CC=N2)NC=C(C#N)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC(CC1)N2C(=CC=N2)N/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C16H23N5O2/c1-3-20-9-6-14(7-10-20)21-15(5-8-19-21)18-12-13(11-17)16(22)23-4-2/h5,8,12,14,18H,3-4,6-7,9-10H2,1-2H3/p+1/b13-12+